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Home Other Building Blocks 5-(piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

5-(piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

CAS No.:
1046079-37-1
Catalog Number:
AG01B7SS
Molecular Formula:
C7H12ClN3O2
Molecular Weight:
205.6421
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Product Description
Catalog Number:
AG01B7SS
Chemical Name:
5-(piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride
CAS Number:
1046079-37-1
Molecular Formula:
C7H12ClN3O2
Molecular Weight:
205.6421
MDL Number:
MFCD11109595
IUPAC Name:
5-piperidin-3-yl-3H-1,3,4-oxadiazol-2-one;hydrochloride
InChI:
InChI=1S/C7H11N3O2.ClH/c11-7-10-9-6(12-7)5-2-1-3-8-4-5;/h5,8H,1-4H2,(H,10,11);1H
InChI Key:
CPKCMSAECIGZOL-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(o1)C1CCCNC1.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
205.642g/mol
Monoisotopic Mass:
205.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis of GABAA receptor agonists and evaluation of their alpha-subunit selectivity and orientation in the GABA binding site. Journal of medicinal chemistry 20080814
Properties